| SpectraBase Spectrum ID |
Jq3Pe7i2uwN |
| Name |
Benzene, 1-[[4-(pentyloxy)phenyl]ethynyl]-4-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.198365456 u |
| Formula |
C22H26O |
| InChI |
InChI=1S/C22H26O/c1-3-5-6-18-23-22-16-14-21(15-17-22)13-12-20-10-8-19(7-4-2)9-11-20/h8-11,14-17H,3-7,18H2,1-2H3 |
| InChIKey |
FTHDVPNMTHMWKA-UHFFFAOYSA-N |
| SMILES |
C1=C(C=CC(=C1)CCC)C#CC=1C=CC(=CC1)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896938 |
![Benzene, 1-[[4-(pentyloxy)phenyl]ethynyl]-4-propyl-](/api/spectrum/Jq3Pe7i2uwN/structure.png?h=300&w=458 "Benzene, 1-[[4-(pentyloxy)phenyl]ethynyl]-4-propyl-")
